123-68-2

Name Allyl hexanoate
CAS 123-68-2
EINECS(EC#) 204-642-4
Molecular Formula C9H16O2
MDL Number MFCD00038339
Molecular Weight 156.22
MOL File 123-68-2.mol

Chemical Properties

Appearance CLEAR COLOURLESS LIQUID
Melting point  -57.45°C (estimate)
Boiling point  75-76 °C/15 mmHg (lit.)
density  0.887 g/mL at 25 °C(lit.)
vapor pressure  2.69hPa at 25℃
FEMA  2032
refractive index  n20/D 1.424(lit.)
Fp  151 °F
storage temp.  Sealed in dry,Room Temperature
solubility  0.06g/l
form  neat
color  Colorless to Almost colorless
Odor at 10.00 % in dipropylene glycol. sweet fruity pineapple tropical ethereal rum arrack fatty cognac
biological source synthetic
Odor Type fruity
Water Solubility  PRACTICALLY INSOLUBLE
JECFA Number 3
Major Application flavors and fragrances
Cosmetics Ingredients Functions FRAGRANCE
PERFUMING
SKIN CONDITIONING - EMOLLIENT
ASTRINGENT
InChI 1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3
InChIKey RCSBILYQLVXLJG-UHFFFAOYSA-N
SMILES CCCCCC(=O)OCC=C
LogP 3.191 at 20℃
Uses
Allyl Hexanoate is a liquid flavoring agent with a strong pineapple odor and pale yellow color. it is practically insoluble in propylene glycol and miscible with alcohol, most fixed oils, and mineral oil. it is obtained by chemical synthesis. it can be used alone or in com- bination with other flavoring substances or adjuvants. it is also termed allyl caproate.
CAS DataBase Reference 123-68-2(CAS DataBase Reference)
NIST Chemistry Reference Hexanoic acid, 2-propenyl ester(123-68-2)
EPA Substance Registry System 123-68-2(EPA Substance)

Safety Data

Symbol(GHS)  Skull and Crossbones (GHS06)Environment (GHS09)
GHS06,GHS09
Signal word  Danger
Hazard statements  H301+H311-H411
Precautionary statements  P264-P270-P273-P280-P301+P310-P302+P352+P312
Hazard Codes  T,N
Risk Statements 
R22:Harmful if swallowed.
R24:Toxic in contact with skin.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
Safety Statements 
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
RIDADR  UN 2810 6.1/PG 3
WGK Germany  2
RTECS  MO6125000
TSCA  TSCA listed
REACH Registrations Active
HazardClass  6.1(b)
PackingGroup  III
HS Code  29159080
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Dermal
Acute Tox. 3 Oral
Aquatic Chronic 2
Safety Profile
Poison by ingestion and skin contact. Mutation data reported. An irritant to human skin. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALLYL COMPOUNDS and ESTERS
Toxicity
The acute oral LD50 in rats was 218 mg/kg and in guinea-pigs 280 mg/kg . The acute dermal LD50 for sample no. 71-20 was reported as 0-3ml/kg in the rabbit

Hazard Information

Material Safety Data Sheet(MSDS)

Questions And Answer

Well-known Reagent Company Product Information

Supplier